Molecule

ID:24076

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClN₂
Molecular Mass
236.74048
Exact Mass
236.10802623
Charge
0
InChI
InChI=1S/C13H16N2.ClH/c1-15-9-5-8-13(15)11-14-10-12-6-3-2-4-7-12;/h2-9,14H,10-11H2,1H3;1H
InChIKey
ZNVSRFIXIFYYGE-UHFFFAOYSA-N
Canonic Smiles
Cn1cccc1CNCc1ccccc1.Cl
Isomeric Smiles
n1(c(ccc1)CNCc1ccccc1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.3962964
LogD (pH = 7.4)
1.2385128
Log P
2.479629
Molar Refractivity
63.4516
Polarizability
24.650362
Polar Surface Area
16.96
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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